2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

C16H18N4O3 — CID 95152464

IUPAC2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)CCC1=O
InChIInChI=1S/C16H18N4O3/c1-19-13(21)8-7-12(18-19)16(23)20-10-9-17-15(22)14(20)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3,(H,17,22)/t14-/m1/s1
InChIKeyMPSGUOKMWHXWFV-CQSZACIVSA-N
MW314.34 g/mol
LogP0.29
Rot. Bonds2

About 2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 95152464) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID95152464
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)CCC1=O
InChIInChI=1S/C16H18N4O3/c1-19-13(21)8-7-12(18-19)16(23)20-10-9-17-15(22)14(20)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3,(H,17,22)/t14-/m1/s1
InChIKeyMPSGUOKMWHXWFV-CQSZACIVSA-N
XLogP0.29
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
CID 110644585
(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
CID 97014985
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110669931
(3S)-4-methyl-3-phenylpiperazin-2-one
CID 86327207
cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119958
2-methyl-6-[(2S)-2-pyridin-4-ylpyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 33265057
4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one
CID 126802300
(3S)-3-phenyl-4-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperazin-2-one
CID 97081448
(2R,3R)-2-methyl-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-3-carboxylic acid
CID 122116543
3-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 97081449
3-(3-oxo-2-phenylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 71934806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 95152464) is 2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)CCC1=O.
What is the InChIKey of 2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is MPSGUOKMWHXWFV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-19-13(21)8-7-12(18-19)16(23)20-10-9-17-15(22)14(20)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3,(H,17,22)/t14-/m1/s1.
What are the key properties of 2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 314.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 95152464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).